Software & consulting offering atomistic simulations and training to industry and academia. Expertise in SIESTA and Abinit among many others.
Donostia - San Sebastián
Joined February 2015
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Unpredictable molecular migration causes failures that macroscopic tests miss.
Predictive Modeling for Polymer Diffusion is here with J-OCTA.
Read more: simuneatomistics.com/avada_p…
#MaterialScience #JOCTA #PolymerResearch
⚛️The hBN Story: A Quantum Material
Our #HorizonEurope "TIMES" project is out! Using ASAP & SIESTA (HS06), we modeled hBN bandgap & defects.
🔗 Results: simuneatomistics.com/rd-proj…
🚀 Download ASAP simuneatomistics.com/asap/
#QuantumTech #SIESTAcode #DFT #MaterialScience #2DMaterials
SIESTA USERS, HYBRID FUNCTIONALS ARE HERE! 👏
Contact Simune if you want to use hybrid functional features (available exclusively in Simune’s SIESTA 5.0 preview).
lnkd.in/dT9DrwH9
simuneatomistics.com
#SIESTA #DFT #ComputationalChemistry #MaterialsScience
ASAP 2025.1 is here! It grants you exclusive, early access to Hybrid Functionals in SIESTA. Trial link below!
simuneatomistics.com/asap/
Join us at CIC nanoGUNE for an insightful seminar on advanced material modeling!
🗓️ 1/12/25 11:00 📍 CIC nanoGUNE, San Sebastian, Spain nanogune.eu/en/seminar/mater…
#MaterialScience #MaterialModeling #RAndD #ScientificResearch #AtomisticSimulation #Nanogune #Simune #Seminar
We're excited to share SPRI Article Highlighting Simune’s Mission for Accessible Atomistic Simulation 🚀 Full article (in Spanish) here: spri.eus/es/tecnologia-comun…
#MaterialsScience #AtomisticSimulation #DigitalTransformation #hpcomputing #SimuneAtomistics #InnovationInAction
⚛️ Modeling Qubit Stability with ASAP
Read the case study: simuneatomistics.com/case-st…
Request a trial today!
simuneatomistics.com/asap/
Simune's SIESTA Pseudos/Basis Sets are now ONLY on ASAP!
Upgrade your R&D: Ditch the command line and use our intuitive GUI. Faster simulations, zero overhead.
Get your 1-month FREE trial now 🚀 👉 simuneatomistics.com/asap-tr…
#SIESTA #ASAP #CompChem #MaterialsScience
Thanks to everyone who visited the SIMUNE booth at the UAB Innovation Fair yesterday! 👋
We loved connecting with the UAB community!
#FiraInnovacioUAB #SIMUNE #Simulation
📢 SIMUNE is coming to the Fira d’Innovació UAB (Oct 21)! 💡 Discover how atomistic simulation solves complex material challenges. See you at the UAB Campus!
Details: pruab.cat/en/agenda/fira-inn…
#UAB #Innovation #ASAP #MaterialsScience #RD
Simune welcomes Karina Landivar, a PhD candidate from University of Milan, as part of the TIMES project! 🎉
Karina will use ASAP to compute the electronic properties of defects in 2D materials for quantum technologies applications.
times.uv.es/
#siesta #ASAP
SIMUNE (Basque Country-based, active in quantum computing) is proud to share:
The IBM Quantum System Two, Europe's most advanced quantum computer, will be inaugurated on October 15th in Donostia! basquequantum.eus/en/news/ba…
#QuantumComputing #Euskadi #Innovations
Announcing the CECAM-SIESTA School 2025! 🎉
A great opportunity for anyone new to #SIESTA.
📅 Nov 17-21, 2025 ✍️ Register by Oct 17, 2025 💻 Bring your own laptop
More info & registration here: cecam.org/workshop-details/s…
#Science #Physics #MaterialsScience #Simulations
🎉 Big news from the SIESTA community! 🎉
The new SIESTA 5.4.1 release is officially out.
Ready to check it out?
Download it here: gitlab.com/siesta-project/si…
See all the details: siesta-project.org/siesta/Do…
#SIESTADFT #materialsmodelling
New case study alert! Our partner, J-OCTA, used machine learning to efficiently analyze thermal conductivity in silicon. 🔬 We're an official distributor and can help you get started.
Read the full study: j-octa.com/cases/caseA76/?cd…
#JOCTA #MachineLearning #MaterialsScience
🚀 New Paper Alert!
New research shows how J-OCTA and FCEWS were used in #SurfactantDesign. The study used simulations to analyze how a segment in nonionic surfactants impacts cleansing performance.aocs.onlinelibrary.wiley.com… #J-OCTA #FCEWS #Detergent
Science is global, but we know speaking your language makes collaboration easier. SIMUNE offers now a website in multiple languages and multilingual support!
simuneatomistics.com/multili…
#Science #Multilingual
📢 New paper using J-OCTA applies Materials Informatics to polymers!
DPD simulations + persistent homology were used to extract features and predict proton conductivity in membranes like Nafion, Aquivion & Flemion.
🔗 pubs.rsc.org/en/content/arti…
#Polymers #ML #FuelCells #DPD
Did you know SIMUNE offers the SIESTA Toolkit to the community?
It includes binaries, basis sets, pseudopotentials & tutorials to support your simulations with SIESTA & TranSIESTA.
🔗 simuneatomistics.com/siesta-…
#DFT #QuantumSimulations #SIESTADFT #MaterialsScience